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Chemical ID: 4388100
Chemical ID:
4388100
Name [?]:
4-(3-fluoro-4-methoxy-phenyl)-2-phenyl-thiazole
SMILES [?]:
COc1ccc(cc1F)c2csc(n2)c3ccccc3
InChi [?]:
InChI=1/C16H12FNOS/c1-19-15-8-7-12(9-13(15)17)14-10-20-16(18-14)11-5-3-2-4-6-11/h2-10H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,16,20,5,4,7,11,15,6,8,10,3,13,9,14,2,12/E:(3,4)(5,6)/rA:20nCOCCCCCCFCCSCNCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;s6;d10;s11;s12;s10d13;s13;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H12FNOS |
All Atoms: | 20 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.03736 |
Area: | 469.11 |
Solvation: | -3.6904 |
Coulombic: | -19.2688 |
Bond Count [?]
All: | 22 |
Single: | 14 |
Double: | 8 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 285.337 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 4.47 |
LogP (Chemaxon): | 4.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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